2-ethyl-3-hydroxypyridine-4-carboxylic acid

C8H9NO3 — CID 71653316

IUPAC2-ethyl-3-hydroxypyridine-4-carboxylic acid
SMILESCCc1nccc(C(=O)O)c1O
InChIInChI=1S/C8H9NO3/c1-2-6-7(10)5(8(11)12)3-4-9-6/h3-4,10H,2H2,1H3,(H,11,12)
InChIKeyBYOPVGDVQICZIG-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.05
Rot. Bonds2

About 2-ethyl-3-hydroxypyridine-4-carboxylic acid

2-ethyl-3-hydroxypyridine-4-carboxylic acid (PubChem CID 71653316) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-ethyl-3-hydroxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-hydroxypyridine-4-carboxylic acid
PubChem CID71653316
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-ethyl-3-hydroxypyridine-4-carboxylic acid
SMILESCCc1nccc(C(=O)O)c1O
InChIInChI=1S/C8H9NO3/c1-2-6-7(10)5(8(11)12)3-4-9-6/h3-4,10H,2H2,1H3,(H,11,12)
InChIKeyBYOPVGDVQICZIG-UHFFFAOYSA-N
XLogP1.05
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxypyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-hydroxypyridine-4-carboxylic acid (CID 71653316) is 2-ethyl-3-hydroxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-hydroxypyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-hydroxypyridine-4-carboxylic acid is CCc1nccc(C(=O)O)c1O.
What is the InChIKey of 2-ethyl-3-hydroxypyridine-4-carboxylic acid?
The InChIKey is BYOPVGDVQICZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-6-7(10)5(8(11)12)3-4-9-6/h3-4,10H,2H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-3-hydroxypyridine-4-carboxylic acid?
2-ethyl-3-hydroxypyridine-4-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxypyridine-4-carboxylic acid is sourced from PubChem (CID 71653316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).